SCHEMBL8566672

SCHEMBL8566672

CNC(=O)Cc1ccnc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
WNT3A P56704 14/20 0.47
CYP2D6 P10635 1/20 0.43
PORCN Q9H237 1/20 0.42
MAPK8 P45983 1/20 0.42
GSK3A P49840 1/20 0.42
MAPK10 P53779 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
RIOK2 Q9BVS4 1/20 0.42
SNRK Q9NRH2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2827115 0.85 CYP1A2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7278617 0.80 GABRP (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3092847 0.80 GABRP (0.62) WNT3A
SCHEMBL2022675 0.79 ALDH1A1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7493596 0.79 GABRP (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8567027 0.79 GABRP (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10528131 0.79 EPHX2 (0.54)
SCHEMBL10527578 0.77 EPHX2 (0.56)
SCHEMBL11077036 0.77 GABRP (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29658465 0.77 GABRP (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed